CID 15847293

80062-31-3

Structural Information

Molecular Formula
C10H14N2O5
SMILES
CNC1=C(C=CC(=C1)OCC(CO)O)[N+](=O)[O-]
InChI
InChI=1S/C10H14N2O5/c1-11-9-4-8(17-6-7(14)5-13)2-3-10(9)12(15)16/h2-4,7,11,13-14H,5-6H2,1H3
InChIKey
CDRHDQOGKXFJSA-UHFFFAOYSA-N
Compound name
3-[3-(methylamino)-4-nitrophenoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1517
Patents

242.09027 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.09755 149.3
[M+Na]+ 265.07949 154.4
[M-H]- 241.08299 150.3
[M+NH4]+ 260.12409 164.2
[M+K]+ 281.05343 148.8
[M+H-H2O]+ 225.08753 147.4
[M+HCOO]- 287.08847 172.3
[M+CH3COO]- 301.10412 184.4
[M+Na-2H]- 263.06494 155.0
[M]+ 242.08972 148.2
[M]- 242.09082 148.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe